Synthesis, Molecular Modeling, and Biological Studies of Novel Piperidine-Based Analogues of Cocaine:  Evidence of Unfavorable Interactions Proximal to the 3α-Position of the Piperidine Ring

2004 ◽  
Vol 47 (12) ◽  
pp. 3009-3018 ◽  
Author(s):  
Pavel A. Petukhov ◽  
Jianrong Zhang ◽  
Cheng Z. Wang ◽  
Yan Ping Ye ◽  
Kenneth M. Johnson ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Piperidine Ring ◽  
Biological Studies

scholarly journals Novel Low Spin Mixed Ligand Thiohydrazide Complexes of Iron(III): Synthesis, Spectral Characterization, Molecular Modeling, and Antibacterial Activity

2014 ◽  
Vol 2014 ◽  
pp. 1-9 ◽  
Author(s):  
Dolan Sengupta ◽  
Snigdha Gangopadhyay ◽  
Sanchita Goswami ◽  
Arnab Dutta ◽  
Vikash Kumar ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Magnetic Susceptibility ◽  
Molecular Modeling ◽  
Antibacterial Properties ◽  
Mixed Ligand ◽  
Magnetic Susceptibility Data ◽  
Susceptibility Data ◽  
Octahedral Environment ◽  
Biological Studies ◽  
Iron Center

Mixed ligand complexes of Fe(III) with aromatic thiohydrazides of general composition [Fe(acac)(L)2] have been synthesized and characterized (acac-acetylacetonate, L = bidentate uninegative aromatic thiohydrazide ligand, for example, thiobenzhydrazide, 2-hydroxythiobenzhydrazide, furan-2-thiohydrazide, and thiophen-2-thiohydrazide). The magnetic susceptibility data and the EPR spectra of these complexes suggested the formation of rhombically distorted low spin iron center (d5) in octahedral environment, which was also supported by the UV-vis spectral data of the complexes. Biological studies of these complexes also indicated that the iron-thiohydrazido complexes have superior antibacterial properties compared to the corresponding ligands.

Novel peptidomimetics as BACE-1 inhibitors: Synthesis, molecular modeling, and biological studies

2013 ◽  
Vol 23 (1) ◽  
pp. 85-89 ◽  
Author(s):  
Stefania Butini ◽  
Emanuele Gabellieri ◽  
Margherita Brindisi ◽  
Alice Casagni ◽  
Egeria Guarino ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Studies ◽  
Bace 1

scholarly journals Synthesis, characterization, biological studies, and molecular modeling of mixed ligand bivalent metal complexes of Schiff bases based on $N$-aminopyrimidine-2-one/2-thione

2015 ◽  
Vol 39 ◽  
pp. 497-509 ◽  
Author(s):  
Hatice Gamze SOĞUKÖMEROĞULLARI ◽  
Tuğba TAŞKIN TOK ◽  
Feyza YILMAZ ◽  
İsmet BERBER ◽  
Mehmet SÖNMEZ
Keyword(s):  
Molecular Modeling ◽  
Metal Complexes ◽  
Schiff Bases ◽  
Mixed Ligand ◽  
Bivalent Metal ◽  
Biological Studies ◽  
Bivalent Metal Complexes

Molecular modeling and biological studies show that some μ-opioid receptor agonists might elicit analgesia acting as MMP-9 inhibitors

2019 ◽  
Vol 11 (11) ◽  
pp. 1245-1258 ◽  
Author(s):  
Simone Ronsisvalle ◽  
Angelo Spadaro ◽  
Barbara Tomasello ◽  
Livia Basile ◽  
Federica Panarello ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Opioid Receptor ◽  
Receptor Agonists ◽  
Biological Studies ◽  
Μ Opioid Receptor ◽  
Opioid Receptor Agonists

scholarly journals Evolution of the Total Syntheses of Batzellasides the First Marine Piperidine Iminosugar

2013 ◽  
Vol 8 (7) ◽  
pp. 1934578X1300800
Author(s):  
Tetsuya Sengoku ◽  
Jolanta Wierzejska ◽  
Masaki Takahashi ◽  
Hidemi Yoda
Keyword(s):  
Total Synthesis ◽  
First Generation ◽  
Ring System ◽  
Piperidine Ring ◽  
Total Syntheses ◽  
Asymmetric Dihydroxylation ◽  
Biological Studies ◽  
The Common ◽  
Absolute Stereochemistry

Batzellasides A-C are C-alkylated piperidine iminosugars isolated from a sponge Batzella sp. The first total synthesis of (+)-batzellaside B was achieved by employing a chiral pool approach starting from L-arabinose for the construction of a piperidine ring system. Subsequently a practical second-generation synthesis was developed by utilizing a Sharpless asymmetric dihydroxylation for the preparation of the common piperidine intermediate elaborated in the first-generation synthesis. The overall yield of batzellaside B was improved to 3.3% by introducing the exocyclic C8 stereocenter via facial selective hydride addition to a linear ketone. These syntheses allowed for the determination of the absolute stereochemistry of this natural product as well as for providing precious samples which would pave the way for further biological studies.

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